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TargetActivated CDC42 kinase 1
LigandBDBM50421253
Substrate/Competitorn/a
Meas. Tech.ChEMBL_840100
IC50 160±n/a nM
Citation Jiao, XKopecky, DJLiu, JLiu, JJaen, JCCardozo, MGSharma, RWalker, NWesche, HLi, SFarrelly, EXiao, SHWang, ZKayser, F Synthesis and optimization of substituted furo[2,3-d]-pyrimidin-4-amines and 7H-pyrrolo[2,3-d]pyrimidin-4-amines as ACK1 inhibitors. Bioorg Med Chem Lett22:6212-7 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Activated CDC42 kinase 1
Name:Activated CDC42 kinase 1
Synonyms:ACK-1 | Ack1 | Non-receptor protein tyrosine kinase Ack
Type:PROTEIN
Mol. Mass.:116986.19
Organism:Mus musculus
Description:ChEMBL_840100
Residue:1055
Sequence:
MQPEEGTGWLLELLSEVQLQQYFLRLRDDLNITRLSHFEYVKNEDLEKIGMGRPGQRRLW
EAVKRRKAMCKRKSWMSKVFSGKRLEAEFPSQHSQSTFRKPSPTPGSLPGEGTLQSLTCL
IGEKDLRLLEKLGDGSFGVVRRGEWDAPAGKTVSVAVKCLKPDVLSQPEAMDDFIREVNA
MHSLDHRNLIRLYGVVLTLPMKMVTELAPLGSLLDRLRKHQGHFLLGTLSRYAVQVAEGM
AYLESKRFIHRDLAARNLLLATRDLVKIGDFGLMRALPQNDDHYVMQEHRKVPFAWCAPE
SLKTRTFSHASDTWMFGVTLWEMFTYGQEPWIGLNGSQILHKIDKEGERLPRPEDCPQDI
YNVMVQCWAHKPEDRPTFVALRDFLLEAQPTDMRALQDFEEPDKLHIQMNDVITVIEGRA
ENYWWRGQNTRTLCVGPFPRNVVTSVAGLSAQDISQPLQNSFIHTGHGDSDPRHCWGFPD
RIDELYLGNPMDPPDLLSVELSTSRPTQHLGRVKREPPPRPPQPAIFTQKTTYDPVSEDP
DPLSSDFKRLGLRKPALPRGLWLAKPSARVPGTKADRSSGGEVTLIDFGEEPVVPTPRPC
APSLAQLAMDACSLLDKTPPQSPTRALPRPLHPTPVVDWDARPLPPPPAYDDVAQDEDDF
EVCSINSTLVGAGLPAGPSQGETNYAFVPEQAQMPPALEDNLFLPPQGGGKPPSSVQTAE
IFQALQQECMRQLQVPTGQLTPSPTPGGDDKPQVPPRVPIPPRPTRPRVELSPAPSGEEE
TSRWPGPASPPRVPPREPLSPQGSRTPSPLVPPGSSPLPHRLSSSPGKTMPTTQSFASDP
KYATPQVIQAPGPRAGPCILPIVRDGRKVSSTHYYLLPERPPYLERYQRFLREAQSPEEP
AALPVPPLLPPPSTPAPAAPTATVRPMPQAAPDPKANFSTNNSNPGARPPSLRAAARLPQ
RGCPGDGQEAARPADKVQMLQAMVHGVTTEECQAALQSHSWSVQRAAQYLKVEQLFGLGL
RPRVECHKVLEMFDWNLEQAGCHLLGSCGPAHHKR
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50421253
n/a
NameBDBM50421253
Synonyms:CHEMBL2087871
TypeSmall organic molecule
Emp. Form.C30H35N5O2
Mol. Mass.497.6312
SMILESCc1ccccc1-c1c([nH]c2ncnc(NC[C@@H]3CCCO3)c12)-c1ccc(OCCN2CCCC2)cc1 |r,wU:17.17,(24.43,-22.73,;23.72,-21.96,;24.2,-20.5,;23.17,-19.35,;21.65,-19.68,;21.18,-21.14,;22.21,-22.28,;21.74,-23.74,;22.65,-25,;21.74,-26.25,;20.26,-25.77,;18.93,-26.54,;17.6,-25.77,;17.6,-24.23,;18.93,-23.46,;18.92,-21.92,;17.59,-21.15,;16.26,-21.93,;14.85,-21.31,;13.83,-22.45,;14.6,-23.79,;16.11,-23.46,;20.26,-24.22,;24.18,-24.99,;24.95,-26.33,;26.49,-26.33,;27.26,-24.99,;28.8,-24.99,;29.58,-26.32,;31.12,-26.32,;31.88,-24.99,;33.41,-24.82,;33.73,-23.31,;32.39,-22.54,;31.25,-23.58,;26.48,-23.66,;24.95,-23.66,)|
Structure
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